UCSF

ZINC34399904

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2009 20 No

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) -1.28 2.94 -85.34 4 7 0 117 277.28 4
Hi High (pH 8-9.5) -1.28 2.54 -53.58 3 7 -1 116 276.272 4

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5939556 IBM Patent Data

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )